3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanylidenepropyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxidanylidenepropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-acetonyl-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxopropyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxopropyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-acetonyl-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C18H26N6O3 MolecularWeight: 374.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)C)C)C

InChI

InChI=1S/C18H26N6O3/c1-12(2)5-8-23-14-15(20-17(23)22-9-6-19-7-10-22)21(4)18(27)24(16(14)26)11-13(3)25/h5,19H,6-11H2,1-4H3